[QE-users] A question about the use of lambda.x

[Paolo Giannozzi]

On 7/18/22 13:20, Piotr Szkudlarek wrote:

> It is worth noting that my system has 40 atoms. Can that be the reason 
> for "too many modes" error?

if you look inside the code you will find the answer:

   integer, parameter:: npk=200, nsigx=50, nmodex=100, nex=200
[..]
      if (nmodes.le.0.or.nmodes.gt.nmodex) &
           call errore('lambda','wrong # or too many modes',nmodex)

(nmodes = 3 times the number of atoms = 120 > 100)

As a general remark: lambda.x is NOT a finished and polished, 
general-purpose piece of software. It's a simple code that processes the 
data produced by an electron-phonon run. It is kept in the distribution 
in the hope that it is useful, but one should be ready to look inside it 
if it isn't

Paolo

> niedz., 17 lip 2022 o 21:28 Piotr Szkudlarek 
> <p.szkudlarek at cent.uw.edu.pl <mailto:p.szkudlarek at cent.uw.edu.pl>> 
> napisał(a):
> 
>     Dear QE users,
>     I am trying to calculate the critical temperature of my system.
>     However, when I try to compute it using lambda.x, I am getting an
>     error saying "wrong # or too many modes".
>     Do you have any idea that could be the source of my problem?
>     Your faithfully,
>     Piotr Szkudlarek
> 
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222